N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide

C23H23FN6OS — CID 134539695

IUPACN-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide
SMILESCCN1C[C@@H](F)C[C@H]1CNC(=O)c1ccnc(-n2cnc3ccc(-c4cccs4)nc32)c1
InChIInChI=1S/C23H23FN6OS/c1-2-29-13-16(24)11-17(29)12-26-23(31)15-7-8-25-21(10-15)30-14-27-19-6-5-18(28-22(19)30)20-4-3-9-32-20/h3-10,14,16-17H,2,11-13H2,1H3,(H,26,31)/t16-,17-/m0/s1
InChIKeyFZXDKZZWOVIBRY-IRXDYDNUSA-N
MW450.54 g/mol
LogP3.71
Rot. Bonds6

About N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide

N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide (PubChem CID 134539695) has the molecular formula C23H23FN6OS and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide
PubChem CID134539695
Molecular FormulaC23H23FN6OS
Molecular Weight450.54 g/mol
Exact Mass450.16
IUPAC NameN-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide
SMILESCCN1C[C@@H](F)C[C@H]1CNC(=O)c1ccnc(-n2cnc3ccc(-c4cccs4)nc32)c1
InChIInChI=1S/C23H23FN6OS/c1-2-29-13-16(24)11-17(29)12-26-23(31)15-7-8-25-21(10-15)30-14-27-19-6-5-18(28-22(19)30)20-4-3-9-32-20/h3-10,14,16-17H,2,11-13H2,1H3,(H,26,31)/t16-,17-/m0/s1
InChIKeyFZXDKZZWOVIBRY-IRXDYDNUSA-N
XLogP3.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide (CID 134539695) is N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide is CCN1C[C@@H](F)C[C@H]1CNC(=O)c1ccnc(-n2cnc3ccc(-c4cccs4)nc32)c1.
What is the InChIKey of N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide?
The InChIKey is FZXDKZZWOVIBRY-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H23FN6OS/c1-2-29-13-16(24)11-17(29)12-26-23(31)15-7-8-25-21(10-15)30-14-27-19-6-5-18(28-22(19)30)20-4-3-9-32-20/h3-10,14,16-17H,2,11-13H2,1H3,(H,26,31)/t16-,17-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide?
N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-(5-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).